| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: EDO_A_7(3F7W) / Model_20(3F7W/A) = [3.3]
| Download | 432.14 | 5.00 | MQATLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCREMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYMKPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSPLLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP |
| Complex: KAN_A_9(1ND4) / Model_31(1ND4/A) = [4.1]
| Download | 1815.82 | -4.64 | MQATLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCREMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYMKPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSPLLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP |
| Complex: ADP_A_7(1J7L) / Model_32(1J7L/A) = [5.0]
| Download | 1152.95 | 20.41 | MQATLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCREMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYMKPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSPLLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP |
| Complex: ADP_A_2(4DCA) / Model_29(4DCA/A) = [5.0]
| Download | 1243.21 | 8.61 | MQATLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCREMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYMKPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSPLLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP |
| Complex: AMP_A_3(4R78) / Model_18(4R78/A) = [5.3]
| Download | 944.89 | 14.92 | MQATLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCREMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYMKPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSPLLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP |
Consensus
[pKd Mean = 4.54] | - | 1117
(s=448) | 8
(s=8) | MQATLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCREMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYMKPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSPLLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP |